5N21

Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand

5N21 の概要

• エントリーDOI: 10.2210/pdb5n21/pdb
• 分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, ... (4 entities in total)
• 機能のキーワード: kinase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : P41182
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 29134.63

構造登録者

Robb, G.,Ferguson, A.,Hargreaves, D. (登録日: 2017-02-06, 公開日: 2017-05-17, 最終更新日: 2024-05-08)

• 主引用文献: McCoull, W.,Abrams, R.D.,Anderson, E.,Blades, K.,Barton, P.,Box, M.,Burgess, J.,Byth, K.,Cao, Q.,Chuaqui, C.,Carbajo, R.J.,Cheung, T.,Code, E.,Ferguson, A.D.,Fillery, S.,Fuller, N.O.,Gangl, E.,Gao, N.,Grist, M.,Hargreaves, D.,Howard, M.R.,Hu, J.,Kemmitt, P.D.,Nelson, J.E.,O'Connell, N.,Prince, D.B.,Raubo, P.,Rawlins, P.B.,Robb, G.R.,Shi, J.,Waring, M.J.,Whittaker, D.,Wylot, M.,Zhu, X.; Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.; J. Med. Chem., 60:4386-4402, 2017; PubMed: 28485934; DOI: 10.1021/acs.jmedchem.7b00359

実験手法

X-RAY DIFFRACTION (1.58 Å)